5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine

C13H17N3O — CID 116827233

IUPAC5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
SMILESCCc1cc(-c2cc(NC)n[nH]2)ccc1OC
InChIInChI=1S/C13H17N3O/c1-4-9-7-10(5-6-12(9)17-3)11-8-13(14-2)16-15-11/h5-8H,4H2,1-3H3,(H2,14,15,16)
InChIKeyORYJDUJRQJCKCB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.69
Rot. Bonds4

About 5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine

5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine (PubChem CID 116827233) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
PubChem CID116827233
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
SMILESCCc1cc(-c2cc(NC)n[nH]2)ccc1OC
InChIInChI=1S/C13H17N3O/c1-4-9-7-10(5-6-12(9)17-3)11-8-13(14-2)16-15-11/h5-8H,4H2,1-3H3,(H2,14,15,16)
InChIKeyORYJDUJRQJCKCB-UHFFFAOYSA-N
XLogP2.69
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 63047414
5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827239
[5-(3-ethyl-4-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878283
5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine
CID 143670067
5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117338097
6-(3-ethyl-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
CID 116823593
5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine
CID 82285421
[6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide
CID 116971727
4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 116967837
2-[5-(3-ethyl-4-methoxyphenyl)-1H-imidazol-2-yl]butanenitrile
CID 116883145
5-(3-ethyl-4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 71565110
5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827288

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine (CID 116827233) is 5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine is CCc1cc(-c2cc(NC)n[nH]2)ccc1OC.
What is the InChIKey of 5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
The InChIKey is ORYJDUJRQJCKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-9-7-10(5-6-12(9)17-3)11-8-13(14-2)16-15-11/h5-8H,4H2,1-3H3,(H2,14,15,16).
What are the key properties of 5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 116827233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).